Glycoside
GD057471
Name:
NoneFormula:
C14H21O6N3Smiles:
Cc1cnncc1C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
Cc1cnncc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.34 | Num_heavy_atoms: | 23 |
| TPSA: | 134.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD28818
Formula: C8H11O2N3
Smiles:
Cc1cnncc1C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 75.11 | NumAromaticRings: | 1 |
